N-[9-[(2S,4As,6S,7S,7As)-2,7-Dihydroxy-2-Oxo-4A,6,7,7A-Tetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinin-6-Yl]Purine-1,3,7-Triium-6-Yl]Butanamide
Properties
Property | Value |
---|---|
Formula | C14H18N5O7P |
IUPAC Name | n-[9-[(2s,4as,6s,7s,7as)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]purine-1,3,7-triium-6-yl]butanamide |
Molecular Mass | 399.296 g·mol−1 |
Heat of Formation | -1266.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.56 ± 1.08 D |
Volume | 414.41 Å 3 |
Surface Area | 368.66 Å 2 |
HOMO Energy | -9.28 ± 0.55 eV |
LUMO Energy | -1.09 ± eV |
Point Group Symmetry | C1 |
InChIKey | IXCFTCYNNPNKJN-XICLKBMKSA-O |
QR Code | Generate QR Code |
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Elements | P C H O N |